7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

C10H6ClN5O2 — CID 10754061

IUPAC7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESNC(=O)c1nc2c(=O)[nH]c3cc(Cl)ccc3n2n1
InChIInChI=1S/C10H6ClN5O2/c11-4-1-2-6-5(3-4)13-10(18)9-14-8(7(12)17)15-16(6)9/h1-3H,(H2,12,17)(H,13,18)
InChIKeyIBNOKUIKTHTOBJ-UHFFFAOYSA-N
MW263.64 g/mol
LogP0.32
Rot. Bonds1

About 7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 10754061) has the molecular formula C10H6ClN5O2 and a molecular weight of 263.64 g/mol. Its IUPAC name is 7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID10754061
Molecular FormulaC10H6ClN5O2
Molecular Weight263.64 g/mol
Exact Mass263.02
IUPAC Name7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESNC(=O)c1nc2c(=O)[nH]c3cc(Cl)ccc3n2n1
InChIInChI=1S/C10H6ClN5O2/c11-4-1-2-6-5(3-4)13-10(18)9-14-8(7(12)17)15-16(6)9/h1-3H,(H2,12,17)(H,13,18)
InChIKeyIBNOKUIKTHTOBJ-UHFFFAOYSA-N
XLogP0.32
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.64
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-ol
CID 3843652
7,8-Dichloro-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 9948141
7,8-Dichloro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10244065
Ethyl 8-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 44461607
(1,2,4)triazolo(1,5-a)quinoxalin-4(5H)-one
CID 10103893
8-chloro-2-(3-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 9972965
8-Chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10063525
7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10357363
8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10425813
7,9-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10566031
7-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10635371
Ethyl 7-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10661355

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of 7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 10754061) is 7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for 7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for 7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is NC(=O)c1nc2c(=O)[nH]c3cc(Cl)ccc3n2n1.
What is the InChIKey of 7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is IBNOKUIKTHTOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O2/c11-4-1-2-6-5(3-4)13-10(18)9-14-8(7(12)17)15-16(6)9/h1-3H,(H2,12,17)(H,13,18).
What are the key properties of 7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 263.64 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 10754061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).